1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride

C6H12ClF3N2O2S — CID 67467659

IUPAC1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)5-14(12,13)11-3-1-10-2-4-11;/h10H,1-5H2;1H
InChIKeyVYCLXSLVLCBRHA-UHFFFAOYSA-N
MW268.69 g/mol
LogP0.21
Rot. Bonds2

About 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride

1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride (PubChem CID 67467659) has the molecular formula C6H12ClF3N2O2S and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride
PubChem CID67467659
Molecular FormulaC6H12ClF3N2O2S
Molecular Weight268.69 g/mol
Exact Mass268.03
IUPAC Name1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)5-14(12,13)11-3-1-10-2-4-11;/h10H,1-5H2;1H
InChIKeyVYCLXSLVLCBRHA-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride (CID 67467659) is 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(CC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride?
The InChIKey is VYCLXSLVLCBRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)5-14(12,13)11-3-1-10-2-4-11;/h10H,1-5H2;1H.
What are the key properties of 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride?
1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride has a molecular weight of 268.69 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 67467659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).